Information card for entry 4319520

Structure parameters

• Formula: C30 H74 Cl Gd Li N3 O3 Si6
• Calculated formula: C30 H74 Cl Gd Li N3 O3 Si6
• SMILES: [Gd]([Cl][Li]([O]1CCCC1)([O](CC)CC)[O]1CCCC1)(N([Si](CC1)(C)C)[Si]1(C)C)(N([Si](CC1)(C)C)[Si]1(C)C)N([Si](CC1)(C)C)[Si]1(C)C
• Title of publication: Synthesis and Single-Crystal X-ray Diffraction Examination of a Structurally Homologous Series of Tetracoordinate Heteroleptic Anionic Lanthanide Complexes: Ln{N[Si(CH3)2CH2CH2Si(CH3)2]}3(μ-Cl)Li(L)3 [Ln = Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb; (L)3= (THF)3, (Et2O)3, (THF)2(Et2O)]
• Authors of publication: Oliver Just; William S. Rees
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 1751 - 1755
• a: 11.4536 ± 0.0003 Å
• b: 21.7727 ± 0.0005 Å
• c: 19.7242 ± 0.0005 Å
• α: 90°
• β: 102.527 ± 0.001°
• γ: 90°
• Cell volume: 4801.6 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No